2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)-1-(10H-phenothiazin-2-yl)ethanone

Systemtic Name: 2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)-1-(10H-phenothiazin-2-yl)ethanone Openeye Name: 2-(3-hydroxyquinuclidin-3-yl)-1-(10H-phenothiazin-2-yl)ethanone CAS Name: 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-1-(10H-phenothiazin-2-yl)ethanone IUPAC Name: 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-1-(10H-phenothiazin-2-yl)ethanone Traditional Name: 2-(3-hydroxyquinuclidin-3-yl)-1-(10H-phenothiazin-2-yl)ethanone Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)(CC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5N4)O

Isomeric SMILES

C1CN2CCC1C(C2)(CC(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5N4)O

InChI

InChI=1S/C21H22N2O2S/c24-18(12-21(25)13-23-9-7-15(21)8-10-23)14-5-6-20-17(11-14)22-16-3-1-2-4-19(16)26-20/h1-6,11,15,22,25H,7-10,12-13H2